EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:03:42 REMARK 6 MODELLER OBJECTIVE FUNCTION: 82.9483 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 60.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1029.80078 REMARK 6 GA341 score: 0.82163 REMARK 6 Normalized DOPE score: -0.91429 REMARK 6 TEMPLATE: 2i13A02 75:A - 94:A MODELS 1: - 20: AT 60.0% ATOM 1 N GLU 315 -14.140 28.217 49.200 1.00 58.92 N ATOM 2 CA GLU 315 -13.843 29.663 49.281 1.00 58.92 C ATOM 3 CB GLU 315 -14.887 30.380 50.150 1.00 58.92 C ATOM 4 CG GLU 315 -16.284 30.418 49.530 1.00 58.92 C ATOM 5 CD GLU 315 -17.227 30.997 50.577 1.00 58.92 C ATOM 6 OE1 GLU 315 -16.768 31.200 51.730 1.00 58.92 O ATOM 7 OE2 GLU 315 -18.416 31.238 50.239 1.00 58.92 O ATOM 8 C GLU 315 -12.502 29.901 49.890 1.00 58.92 C ATOM 9 O GLU 315 -11.786 28.963 50.237 1.00 58.92 O ATOM 10 N LYS 316 -12.122 31.189 49.990 1.00 96.88 N ATOM 11 CA LYS 316 -10.880 31.558 50.599 1.00 96.88 C ATOM 12 CB LYS 316 -9.956 32.239 49.585 1.00 96.88 C ATOM 13 CG LYS 316 -9.736 31.371 48.346 1.00 96.88 C ATOM 14 CD LYS 316 -9.291 32.161 47.118 1.00 96.88 C ATOM 15 CE LYS 316 -7.835 32.625 47.147 1.00 96.88 C ATOM 16 NZ LYS 316 -7.547 33.352 45.893 1.00 96.88 N ATOM 17 C LYS 316 -11.253 32.579 51.623 1.00 96.88 C ATOM 18 O LYS 316 -11.212 33.781 51.368 1.00 96.88 O ATOM 19 N PRO 317 -11.655 32.111 52.768 1.00123.07 N ATOM 20 CA PRO 317 -12.088 32.979 53.830 1.00123.07 C ATOM 21 CD PRO 317 -12.265 30.797 52.862 1.00123.07 C ATOM 22 CB PRO 317 -12.944 32.116 54.762 1.00123.07 C ATOM 23 CG PRO 317 -12.653 30.665 54.340 1.00123.07 C ATOM 24 C PRO 317 -11.029 33.740 54.556 1.00123.07 C ATOM 25 O PRO 317 -11.345 34.788 55.118 1.00123.07 O ATOM 26 N PHE 318 -9.775 33.260 54.577 1.00 62.17 N ATOM 27 CA PHE 318 -8.843 33.955 55.415 1.00 62.17 C ATOM 28 CB PHE 318 -7.990 33.003 56.268 1.00 62.17 C ATOM 29 CG PHE 318 -8.921 32.518 57.326 1.00 62.17 C ATOM 30 CD1 PHE 318 -9.038 33.208 58.510 1.00 62.17 C ATOM 31 CD2 PHE 318 -9.688 31.393 57.138 1.00 62.17 C ATOM 32 CE1 PHE 318 -9.896 32.788 59.499 1.00 62.17 C ATOM 33 CE2 PHE 318 -10.549 30.969 58.125 1.00 62.17 C ATOM 34 CZ PHE 318 -10.657 31.663 59.308 1.00 62.17 C ATOM 35 C PHE 318 -7.948 34.826 54.603 1.00 62.17 C ATOM 36 O PHE 318 -7.321 34.379 53.645 1.00 62.17 O ATOM 37 N THR 319 -7.864 36.116 54.982 1.00 98.92 N ATOM 38 CA THR 319 -7.021 36.989 54.222 1.00 98.92 C ATOM 39 CB THR 319 -7.758 38.123 53.570 1.00 98.92 C ATOM 40 OG1 THR 319 -6.888 38.833 52.699 1.00 98.92 O ATOM 41 CG2 THR 319 -8.300 39.052 54.669 1.00 98.92 C ATOM 42 C THR 319 -5.991 37.590 55.124 1.00 98.92 C ATOM 43 O THR 319 -6.252 37.870 56.294 1.00 98.92 O ATOM 44 N CYS 320 -4.766 37.769 54.587 1.00 42.95 N ATOM 45 CA CYS 320 -3.704 38.372 55.343 1.00 42.95 C ATOM 46 CB CYS 320 -2.302 38.117 54.774 1.00 42.95 C ATOM 47 SG CYS 320 -0.996 38.944 55.732 1.00 42.95 S ATOM 48 C CYS 320 -3.914 39.849 55.368 1.00 42.95 C ATOM 49 O CYS 320 -4.229 40.468 54.355 1.00 42.95 O ATOM 50 N THR 321 -3.716 40.458 56.551 1.00114.19 N ATOM 51 CA THR 321 -3.963 41.857 56.732 1.00114.19 C ATOM 52 CB THR 321 -3.784 42.279 58.176 1.00114.19 C ATOM 53 OG1 THR 321 -4.156 43.639 58.342 1.00114.19 O ATOM 54 CG2 THR 321 -2.329 42.056 58.628 1.00114.19 C ATOM 55 C THR 321 -3.056 42.679 55.860 1.00114.19 C ATOM 56 O THR 321 -3.513 43.575 55.151 1.00114.19 O ATOM 57 N GLN 322 -1.738 42.413 55.897 1.00151.69 N ATOM 58 CA GLN 322 -0.873 43.272 55.142 1.00151.69 C ATOM 59 CB GLN 322 0.600 43.188 55.580 1.00151.69 C ATOM 60 CG GLN 322 0.873 43.878 56.922 1.00151.69 C ATOM 61 CD GLN 322 0.703 45.377 56.709 1.00151.69 C ATOM 62 OE1 GLN 322 0.709 46.162 57.655 1.00151.69 O ATOM 63 NE2 GLN 322 0.537 45.783 55.423 1.00151.69 N ATOM 64 C GLN 322 -0.929 43.064 53.654 1.00151.69 C ATOM 65 O GLN 322 -1.110 44.022 52.902 1.00151.69 O ATOM 66 N CYS 323 -0.743 41.813 53.185 1.00 52.61 N ATOM 67 CA CYS 323 -0.704 41.555 51.770 1.00 52.61 C ATOM 68 CB CYS 323 -0.060 40.204 51.417 1.00 52.61 C ATOM 69 SG CYS 323 -0.912 38.764 52.120 1.00 52.61 S ATOM 70 C CYS 323 -2.064 41.619 51.153 1.00 52.61 C ATOM 71 O CYS 323 -2.241 42.201 50.084 1.00 52.61 O ATOM 72 N GLY 324 -3.074 41.030 51.819 1.00 28.10 N ATOM 73 CA GLY 324 -4.397 41.026 51.265 1.00 28.10 C ATOM 74 C GLY 324 -4.620 39.733 50.538 1.00 28.10 C ATOM 75 O GLY 324 -5.684 39.520 49.958 1.00 28.10 O ATOM 76 N LYS 325 -3.621 38.827 50.537 1.00 85.15 N ATOM 77 CA LYS 325 -3.806 37.585 49.845 1.00 85.15 C ATOM 78 CB LYS 325 -2.511 36.779 49.634 1.00 85.15 C ATOM 79 CG LYS 325 -2.687 35.609 48.659 1.00 85.15 C ATOM 80 CD LYS 325 -1.369 34.972 48.227 1.00 85.15 C ATOM 81 CE LYS 325 -0.361 35.980 47.679 1.00 85.15 C ATOM 82 NZ LYS 325 0.979 35.355 47.574 1.00 85.15 N ATOM 83 C LYS 325 -4.751 36.753 50.654 1.00 85.15 C ATOM 84 O LYS 325 -4.807 36.863 51.878 1.00 85.15 O ATOM 85 N SER 326 -5.538 35.887 49.983 1.00 90.80 N ATOM 86 CA SER 326 -6.505 35.132 50.723 1.00 90.80 C ATOM 87 CB SER 326 -7.936 35.383 50.224 1.00 90.80 C ATOM 88 OG SER 326 -8.854 34.777 51.114 1.00 90.80 O ATOM 89 C SER 326 -6.180 33.674 50.580 1.00 90.80 C ATOM 90 O SER 326 -5.583 33.254 49.590 1.00 90.80 O ATOM 91 N PHE 327 -6.546 32.853 51.589 1.00 59.46 N ATOM 92 CA PHE 327 -6.201 31.460 51.521 1.00 59.46 C ATOM 93 CB PHE 327 -5.042 31.075 52.458 1.00 59.46 C ATOM 94 CG PHE 327 -3.816 31.768 51.958 1.00 59.46 C ATOM 95 CD1 PHE 327 -3.062 31.213 50.949 1.00 59.46 C ATOM 96 CD2 PHE 327 -3.418 32.969 52.502 1.00 59.46 C ATOM 97 CE1 PHE 327 -1.936 31.850 50.484 1.00 59.46 C ATOM 98 CE2 PHE 327 -2.292 33.613 52.043 1.00 59.46 C ATOM 99 CZ PHE 327 -1.553 33.051 51.030 1.00 59.46 C ATOM 100 C PHE 327 -7.381 30.621 51.902 1.00 59.46 C ATOM 101 O PHE 327 -8.303 31.082 52.573 1.00 59.46 O ATOM 102 N SER 328 -7.382 29.355 51.432 1.00 37.72 N ATOM 103 CA SER 328 -8.433 28.420 51.713 1.00 37.72 C ATOM 104 CB SER 328 -8.360 27.152 50.845 1.00 37.72 C ATOM 105 OG SER 328 -7.154 26.453 51.106 1.00 37.72 O ATOM 106 C SER 328 -8.365 27.979 53.142 1.00 37.72 C ATOM 107 O SER 328 -9.399 27.712 53.753 1.00 37.72 O ATOM 108 N GLN 329 -7.149 27.877 53.722 1.00 50.96 N ATOM 109 CA GLN 329 -7.067 27.361 55.061 1.00 50.96 C ATOM 110 CB GLN 329 -6.316 26.018 55.139 1.00 50.96 C ATOM 111 CG GLN 329 -7.042 24.892 54.403 1.00 50.96 C ATOM 112 CD GLN 329 -6.143 23.662 54.359 1.00 50.96 C ATOM 113 OE1 GLN 329 -5.848 23.132 53.289 1.00 50.96 O ATOM 114 NE2 GLN 329 -5.694 23.180 55.547 1.00 50.96 N ATOM 115 C GLN 329 -6.349 28.331 55.945 1.00 50.96 C ATOM 116 O GLN 329 -5.459 29.062 55.513 1.00 50.96 O ATOM 117 N SER 330 -6.750 28.357 57.229 1.00 29.38 N ATOM 118 CA SER 330 -6.157 29.220 58.207 1.00 29.38 C ATOM 119 CB SER 330 -6.916 29.216 59.547 1.00 29.38 C ATOM 120 OG SER 330 -8.172 29.859 59.381 1.00 29.38 O ATOM 121 C SER 330 -4.756 28.777 58.458 1.00 29.38 C ATOM 122 O SER 330 -3.875 29.599 58.705 1.00 29.38 O ATOM 123 N SER 331 -4.509 27.457 58.389 1.00 62.49 N ATOM 124 CA SER 331 -3.193 26.961 58.661 1.00 62.49 C ATOM 125 CB SER 331 -3.109 25.432 58.527 1.00 62.49 C ATOM 126 OG SER 331 -3.986 24.817 59.458 1.00 62.49 O ATOM 127 C SER 331 -2.272 27.566 57.654 1.00 62.49 C ATOM 128 O SER 331 -1.143 27.939 57.967 1.00 62.49 O ATOM 129 N ASN 332 -2.750 27.687 56.404 1.00 38.07 N ATOM 130 CA ASN 332 -1.954 28.221 55.339 1.00 38.07 C ATOM 131 CB ASN 332 -2.708 28.193 54.004 1.00 38.07 C ATOM 132 CG ASN 332 -3.092 26.748 53.734 1.00 38.07 C ATOM 133 OD1 ASN 332 -2.545 25.821 54.330 1.00 38.07 O ATOM 134 ND2 ASN 332 -4.070 26.547 52.812 1.00 38.07 N ATOM 135 C ASN 332 -1.671 29.658 55.639 1.00 38.07 C ATOM 136 O ASN 332 -0.550 30.141 55.477 1.00 38.07 O ATOM 137 N PHE 333 -2.712 30.374 56.104 1.00 48.15 N ATOM 138 CA PHE 333 -2.625 31.775 56.396 1.00 48.15 C ATOM 139 CB PHE 333 -3.987 32.355 56.841 1.00 48.15 C ATOM 140 CG PHE 333 -3.802 33.714 57.423 1.00 48.15 C ATOM 141 CD1 PHE 333 -3.639 34.820 56.618 1.00 48.15 C ATOM 142 CD2 PHE 333 -3.782 33.868 58.790 1.00 48.15 C ATOM 143 CE1 PHE 333 -3.468 36.067 57.169 1.00 48.15 C ATOM 144 CE2 PHE 333 -3.613 35.116 59.342 1.00 48.15 C ATOM 145 CZ PHE 333 -3.460 36.217 58.534 1.00 48.15 C ATOM 146 C PHE 333 -1.620 32.002 57.476 1.00 48.15 C ATOM 147 O PHE 333 -0.778 32.891 57.358 1.00 48.15 O ATOM 148 N ASN 334 -1.671 31.192 58.550 1.00 35.66 N ATOM 149 CA ASN 334 -0.741 31.364 59.630 1.00 35.66 C ATOM 150 CB ASN 334 0.727 31.493 59.170 1.00 35.66 C ATOM 151 CG ASN 334 1.265 30.114 58.796 1.00 35.66 C ATOM 152 OD1 ASN 334 1.700 29.349 59.657 1.00 35.66 O ATOM 153 ND2 ASN 334 1.239 29.794 57.476 1.00 35.66 N ATOM 154 C ASN 334 -1.097 32.639 60.384 1.00 35.66 C ATOM 155 O ASN 334 -1.561 32.523 61.550 1.00 35.66 O ATOM 156 OXT ASN 334 -0.898 33.742 59.813 1.00 35.66 O